# generated using pymatgen
data_Ca9Tm(Si3H)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99958557
_cell_length_b   8.99958487
_cell_length_c   8.99263937
_cell_angle_alpha   129.97144787
_cell_angle_beta   129.97145232
_cell_angle_gamma   73.53353483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Tm(Si3H)2
_chemical_formula_sum   'Ca9 Tm1 Si6 H2'
_cell_volume   417.27903012
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.49584485  0.50228841  0.00016421  1.0
  Ca  Ca1  1  0.00228841  0.99584485  0.00016421  1.0
  Ca  Ca2  1  0.18065989  0.68065989  0.15959161  1.0
  Ca  Ca3  1  0.01765860  0.18125248  0.49813103  1.0
  Ca  Ca4  1  0.68125248  0.51765860  0.49813103  1.0
  Ca  Ca5  1  0.48049925  0.98049925  0.16687826  1.0
  Ca  Ca6  1  0.81546400  0.31546400  0.83573892  1.0
  Ca  Ca7  1  0.98073038  0.81686421  0.49906275  1.0
  Ca  Ca8  1  0.31686421  0.48073038  0.49906275  1.0
  Tm  Tm9  1  0.52394141  0.02394141  0.83705982  1.0
  Si  Si10  1  0.25951734  0.24243268  0.99417153  1.0
  Si  Si11  1  0.74243268  0.75951734  0.99417153  1.0
  Si  Si12  1  0.88132448  0.38132448  0.26484351  1.0
  Si  Si13  1  0.10676096  0.60676096  0.71504942  1.0
  Si  Si14  1  0.38826833  0.11163957  0.50903341  1.0
  Si  Si15  1  0.61163957  0.88826833  0.50903341  1.0
  H  H16  1  0.26427339  0.76427339  0.51542553  1.0
  H  H17  1  0.75058077  0.25058077  0.50428704  1.0